5-[[(4-bromophenyl)methyl-propan-2-yl-azaniumyl]methyl]furan-2-carboxylate

Systemtic Name: 5-[[(4-bromophenyl)methyl-propan-2-yl-azaniumyl]methyl]furan-2-carboxylate Openeye Name: 5-[[(4-bromophenyl)methyl-isopropyl-ammonio]methyl]furan-2-carboxylate CAS Name: 5-[[(4-bromophenyl)methyl-propan-2-ylammonio]methyl]-2-furancarboxylate IUPAC Name: 5-[[(4-bromophenyl)methyl-propan-2-ylazaniumyl]methyl]furan-2-carboxylate Traditional Name: 5-[[(4-bromobenzyl)-isopropyl-ammonio]methyl]-2-furoate Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC1=CC=C(C=C1)Br)CC2=CC=C(O2)C(=O)[O-]

Isomeric SMILES

CC(C)[NH+](CC1=CC=C(C=C1)Br)CC2=CC=C(O2)C(=O)[O-]

InChI

InChI=1S/C16H18BrNO3/c1-11(2)18(9-12-3-5-13(17)6-4-12)10-14-7-8-15(21-14)16(19)20/h3-8,11H,9-10H2,1-2H3,(H,19,20)